Natural Product: NPC286786

Natural Product ID:  NPC286786
Common Name:   [(4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-Acetyloxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicen-4A-Yl]Methyl Acetate
IUPAC Name:   [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
Synonyms:  
Molecular Formula:   C34H54O4
Standard InCHIKey:  DGYMSRDXTBOSQL-HYOGYQTGSA-N
Standard InCHI:  InChI=1S/C34H54O4/c1-22(35)37-21-34-18-16-29(3,4)20-25(34)24-10-11-27-31(7)14-13-28(38-23(2)36)30(5,6)26(31)12-15-33(27,9)32(24,8)17-19-34/h10,25-28H,11-21H2,1-9H3/t25-,26-,27+,28-,31-,32+,33+,34+/m0/s1
Canonical SMILES:  CC(=O)OC[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)OC(=O)C)(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO2270 Euptelea polyandra Species Eupteleaceae Eukaryota PMID[2832544]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT80 Cell Line Raji Homo sapiens Activity = 100 % 17417907
NPT2 Others Unspecified Activity = 100 % 21135175
NPT80 Cell Line Raji Homo sapiens Activity = 50 % 20159656
NPT80 Cell Line Raji Homo sapiens Activity = 100 % 22247789
NPT2 Others Unspecified Activity = 100 % 19128055
NPT2 Others Unspecified Activity = 100 % 22409377
NPT2 Others Unspecified Activity = 0 % 9548875
NPT80 Cell Line Raji Homo sapiens Activity = 100 % 20801553
NPT2 Others Unspecified Activity = 0 % 22245048

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC286786 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.987 High Similarity NPC132386
0.9868 High Similarity NPC290495
0.9868 High Similarity NPC195334
0.961 High Similarity NPC108476
0.9383 High Similarity NPC46912
0.9383 High Similarity NPC162107
0.9375 High Similarity NPC191965
0.9259 High Similarity NPC9892
0.9259 High Similarity NPC91525
0.9259 High Similarity NPC10005
0.9259 High Similarity NPC137306
0.9259 High Similarity NPC329943
0.9259 High Similarity NPC84121
0.9157 High Similarity NPC475049
0.9091 High Similarity NPC84868
0.9048 High Similarity NPC120840
0.9048 High Similarity NPC113989
0.9036 High Similarity NPC224145
0.8941 High Similarity NPC77099
0.8941 High Similarity NPC60755
0.8941 High Similarity NPC470590
0.8941 High Similarity NPC285184
0.8929 High Similarity NPC30522
0.8837 High Similarity NPC86368
0.8824 High Similarity NPC474728
0.875 High Similarity NPC269791
0.875 High Similarity NPC304194
0.8736 High Similarity NPC184006
0.8736 High Similarity NPC74751
0.8736 High Similarity NPC215700
0.8736 High Similarity NPC78580
0.8736 High Similarity NPC296164
0.8736 High Similarity NPC23621
0.8659 High Similarity NPC139206
0.8636 High Similarity NPC195715
0.8636 High Similarity NPC23241
0.8636 High Similarity NPC474727
0.8625 High Similarity NPC305835
0.8588 High Similarity NPC246708
0.8588 High Similarity NPC182797
0.8588 High Similarity NPC52169
0.8588 High Similarity NPC474845
0.8588 High Similarity NPC40552
0.8554 High Similarity NPC312660
0.8539 High Similarity NPC230151
0.8539 High Similarity NPC327179
0.8537 High Similarity NPC163236
0.8488 Intermediate Similarity NPC225585
0.8488 Intermediate Similarity NPC293048
0.8488 Intermediate Similarity NPC127689
0.8488 Intermediate Similarity NPC25906
0.8488 Intermediate Similarity NPC198664
0.8488 Intermediate Similarity NPC270768
0.8488 Intermediate Similarity NPC59263
0.8488 Intermediate Similarity NPC234346
0.8488 Intermediate Similarity NPC143232
0.8488 Intermediate Similarity NPC130520
0.8488 Intermediate Similarity NPC274330
0.8488 Intermediate Similarity NPC121798
0.8488 Intermediate Similarity NPC263393
0.8488 Intermediate Similarity NPC470588
0.8488 Intermediate Similarity NPC290972
0.8488 Intermediate Similarity NPC61543
0.8488 Intermediate Similarity NPC64872
0.8471 Intermediate Similarity NPC242468
0.8471 Intermediate Similarity NPC98442
0.8471 Intermediate Similarity NPC171203
0.8471 Intermediate Similarity NPC68160
0.8471 Intermediate Similarity NPC307426
0.8471 Intermediate Similarity NPC142415
0.8471 Intermediate Similarity NPC51700
0.8471 Intermediate Similarity NPC18064
0.8471 Intermediate Similarity NPC102683
0.8471 Intermediate Similarity NPC88716
0.8471 Intermediate Similarity NPC130577
0.8471 Intermediate Similarity NPC293564
0.8452 Intermediate Similarity NPC474013
0.8444 Intermediate Similarity NPC476879
0.8444 Intermediate Similarity NPC26413
0.8444 Intermediate Similarity NPC476878
0.8444 Intermediate Similarity NPC158347
0.8434 Intermediate Similarity NPC473742
0.8415 Intermediate Similarity NPC142163
0.8409 Intermediate Similarity NPC63118
0.8409 Intermediate Similarity NPC473678
0.8409 Intermediate Similarity NPC74855
0.8409 Intermediate Similarity NPC49776
0.8409 Intermediate Similarity NPC136313
0.8409 Intermediate Similarity NPC214756
0.8409 Intermediate Similarity NPC295643
0.8409 Intermediate Similarity NPC474436
0.8409 Intermediate Similarity NPC272075
0.8409 Intermediate Similarity NPC307335
0.8395 Intermediate Similarity NPC153987
0.8395 Intermediate Similarity NPC44083
0.8391 Intermediate Similarity NPC290614
0.8391 Intermediate Similarity NPC111110
0.8391 Intermediate Similarity NPC291028
0.8391 Intermediate Similarity NPC126369
0.8391 Intermediate Similarity NPC210037
0.8391 Intermediate Similarity NPC7260
0.8391 Intermediate Similarity NPC273621
0.8391 Intermediate Similarity NPC477872
0.8391 Intermediate Similarity NPC18872
0.8391 Intermediate Similarity NPC120968
0.8391 Intermediate Similarity NPC470589
0.8391 Intermediate Similarity NPC227467
0.8391 Intermediate Similarity NPC130278
0.8375 Intermediate Similarity NPC40394
0.8375 Intermediate Similarity NPC157996
0.8375 Intermediate Similarity NPC34177
0.8375 Intermediate Similarity NPC101475
0.8372 Intermediate Similarity NPC470629
0.8372 Intermediate Similarity NPC17733
0.8372 Intermediate Similarity NPC473242
0.8372 Intermediate Similarity NPC181225
0.8372 Intermediate Similarity NPC474512
0.8372 Intermediate Similarity NPC290690
0.8353 Intermediate Similarity NPC325594
0.8353 Intermediate Similarity NPC72638
0.8353 Intermediate Similarity NPC474970
0.8352 Intermediate Similarity NPC477875
0.8352 Intermediate Similarity NPC471966
0.8352 Intermediate Similarity NPC58942
0.8352 Intermediate Similarity NPC477876
0.8352 Intermediate Similarity NPC260149
0.8315 Intermediate Similarity NPC91010
0.8313 Intermediate Similarity NPC256112
0.8295 Intermediate Similarity NPC52021
0.8295 Intermediate Similarity NPC84319
0.8295 Intermediate Similarity NPC145067
0.8295 Intermediate Similarity NPC288833
0.8295 Intermediate Similarity NPC71074
0.8295 Intermediate Similarity NPC228784
0.8295 Intermediate Similarity NPC282616
0.8295 Intermediate Similarity NPC105189
0.8295 Intermediate Similarity NPC474525
0.8295 Intermediate Similarity NPC966
0.8295 Intermediate Similarity NPC472149
0.8295 Intermediate Similarity NPC158030
0.8295 Intermediate Similarity NPC65120
0.8295 Intermediate Similarity NPC300351
0.8295 Intermediate Similarity NPC187722
0.8295 Intermediate Similarity NPC324341
0.8295 Intermediate Similarity NPC235884
0.8295 Intermediate Similarity NPC155120
0.8295 Intermediate Similarity NPC306541
0.8295 Intermediate Similarity NPC4036
0.8295 Intermediate Similarity NPC25299
0.8295 Intermediate Similarity NPC233455
0.8293 Intermediate Similarity NPC267517
0.8276 Intermediate Similarity NPC161751
0.8276 Intermediate Similarity NPC474972
0.8276 Intermediate Similarity NPC95246
0.8272 Intermediate Similarity NPC253807
0.8272 Intermediate Similarity NPC470396
0.8272 Intermediate Similarity NPC22955
0.8272 Intermediate Similarity NPC196753
0.8272 Intermediate Similarity NPC474989
0.8272 Intermediate Similarity NPC230295
0.8272 Intermediate Similarity NPC158662
0.8272 Intermediate Similarity NPC300499
0.8272 Intermediate Similarity NPC99168
0.8272 Intermediate Similarity NPC98386
0.8261 Intermediate Similarity NPC476195
0.8261 Intermediate Similarity NPC474190
0.8261 Intermediate Similarity NPC474571
0.8261 Intermediate Similarity NPC254567
0.8256 Intermediate Similarity NPC478104
0.825 Intermediate Similarity NPC290598
0.825 Intermediate Similarity NPC30590
0.825 Intermediate Similarity NPC122418
0.825 Intermediate Similarity NPC120098
0.825 Intermediate Similarity NPC265328
0.825 Intermediate Similarity NPC27765
0.8235 Intermediate Similarity NPC98270
0.8214 Intermediate Similarity NPC474789
0.8214 Intermediate Similarity NPC200752
0.8214 Intermediate Similarity NPC5280
0.8214 Intermediate Similarity NPC52108
0.8202 Intermediate Similarity NPC202728
0.8202 Intermediate Similarity NPC158059
0.8202 Intermediate Similarity NPC169343
0.8202 Intermediate Similarity NPC118519
0.8202 Intermediate Similarity NPC275809
0.8202 Intermediate Similarity NPC229281
0.8202 Intermediate Similarity NPC298554
0.8193 Intermediate Similarity NPC25554
0.8193 Intermediate Similarity NPC116202
0.8193 Intermediate Similarity NPC476101
0.8193 Intermediate Similarity NPC170303
0.8182 Intermediate Similarity NPC471433
0.8182 Intermediate Similarity NPC328141
0.8182 Intermediate Similarity NPC471896
0.8182 Intermediate Similarity NPC86372
0.8182 Intermediate Similarity NPC46441
0.8182 Intermediate Similarity NPC172361
0.8182 Intermediate Similarity NPC471432
0.8182 Intermediate Similarity NPC49320
0.8182 Intermediate Similarity NPC193750

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC286786 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8736 High Similarity NPD7901 Clinical (unspecified phase)
0.8736 High Similarity NPD7900 Approved
0.8736 High Similarity NPD7748 Approved
0.8444 Intermediate Similarity NPD7902 Approved
0.8395 Intermediate Similarity NPD7645 Phase 2
0.8295 Intermediate Similarity NPD7515 Phase 2
0.7753 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD8035 Phase 2
0.7692 Intermediate Similarity NPD8034 Phase 2
0.7528 Intermediate Similarity NPD7334 Approved
0.7528 Intermediate Similarity NPD5330 Approved
0.7528 Intermediate Similarity NPD7521 Approved
0.7528 Intermediate Similarity NPD6684 Approved
0.7528 Intermediate Similarity NPD6409 Approved
0.7528 Intermediate Similarity NPD7146 Approved
0.7473 Intermediate Similarity NPD6051 Approved
0.7444 Intermediate Similarity NPD3573 Approved
0.7442 Intermediate Similarity NPD7525 Registered
0.7419 Intermediate Similarity NPD6399 Phase 3
0.7416 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7638 Approved
0.7363 Intermediate Similarity NPD6672 Approved
0.7363 Intermediate Similarity NPD5737 Approved
0.7363 Intermediate Similarity NPD6903 Approved
0.732 Intermediate Similarity NPD7640 Approved
0.732 Intermediate Similarity NPD7639 Approved
0.7083 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7339 Approved
0.7059 Intermediate Similarity NPD6942 Approved
0.701 Intermediate Similarity NPD7732 Phase 3
0.6977 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6957 Remote Similarity NPD3618 Phase 1
0.6957 Remote Similarity NPD6098 Approved
0.6923 Remote Similarity NPD3668 Phase 3
0.6923 Remote Similarity NPD4786 Approved
0.6915 Remote Similarity NPD6673 Approved
0.6915 Remote Similarity NPD6904 Approved
0.6915 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6915 Remote Similarity NPD6080 Approved
0.6915 Remote Similarity NPD5328 Approved
0.6889 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6889 Remote Similarity NPD3667 Approved
0.6827 Remote Similarity NPD6899 Approved
0.6827 Remote Similarity NPD6881 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6796 Remote Similarity NPD6008 Approved
0.6792 Remote Similarity NPD8130 Phase 1
0.6771 Remote Similarity NPD6079 Approved
0.6771 Remote Similarity NPD6411 Approved
0.6768 Remote Similarity NPD6084 Phase 2
0.6768 Remote Similarity NPD6083 Phase 2
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6762 Remote Similarity NPD6372 Approved
0.6731 Remote Similarity NPD5701 Approved
0.6731 Remote Similarity NPD5697 Approved
0.6729 Remote Similarity NPD8297 Approved
0.6726 Remote Similarity NPD8328 Phase 3
0.67 Remote Similarity NPD4225 Approved
0.6698 Remote Similarity NPD6883 Approved
0.6698 Remote Similarity NPD7290 Approved
0.6698 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD1694 Approved
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6636 Remote Similarity NPD6617 Approved
0.6636 Remote Similarity NPD6869 Approved
0.6636 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6649 Approved
0.6636 Remote Similarity NPD6650 Approved
0.6636 Remote Similarity NPD6847 Approved
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6633 Remote Similarity NPD6001 Approved
0.6632 Remote Similarity NPD5208 Approved
0.6607 Remote Similarity NPD8377 Approved
0.6607 Remote Similarity NPD8294 Approved
0.6604 Remote Similarity NPD6014 Approved
0.6604 Remote Similarity NPD6012 Approved
0.6604 Remote Similarity NPD6013 Approved
0.6598 Remote Similarity NPD6050 Approved
0.6598 Remote Similarity NPD5693 Phase 1
0.6574 Remote Similarity NPD6882 Approved
0.6566 Remote Similarity NPD5695 Phase 3
0.6562 Remote Similarity NPD6101 Approved
0.6562 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6559 Remote Similarity NPD3666 Approved
0.6559 Remote Similarity NPD3665 Phase 1
0.6559 Remote Similarity NPD3133 Approved
0.6549 Remote Similarity NPD8380 Approved
0.6549 Remote Similarity NPD8296 Approved
0.6549 Remote Similarity NPD8379 Approved
0.6549 Remote Similarity NPD8378 Approved
0.6549 Remote Similarity NPD8335 Approved
0.6549 Remote Similarity NPD8033 Approved
0.6535 Remote Similarity NPD5696 Approved
0.6531 Remote Similarity NPD4202 Approved
0.6512 Remote Similarity NPD4243 Approved
0.65 Remote Similarity NPD5220 Clinical (unspecified phase)
0.65 Remote Similarity NPD5222 Approved
0.65 Remote Similarity NPD7614 Phase 1
0.65 Remote Similarity NPD5221 Approved
0.65 Remote Similarity NPD4697 Phase 3
0.6495 Remote Similarity NPD5692 Phase 3
0.6486 Remote Similarity NPD7115 Discovery
0.6477 Remote Similarity NPD8039 Approved
0.6477 Remote Similarity NPD8264 Approved
0.6436 Remote Similarity NPD4755 Approved
0.6436 Remote Similarity NPD5173 Approved
0.6429 Remote Similarity NPD7327 Approved
0.6429 Remote Similarity NPD5694 Approved
0.6429 Remote Similarity NPD7328 Approved
0.6404 Remote Similarity NPD6117 Approved
0.6396 Remote Similarity NPD6868 Approved
0.6374 Remote Similarity NPD4195 Approved
0.6372 Remote Similarity NPD7516 Approved
0.6364 Remote Similarity NPD4785 Approved
0.6364 Remote Similarity NPD6926 Approved
0.6364 Remote Similarity NPD6924 Approved
0.6364 Remote Similarity NPD4784 Approved
0.6333 Remote Similarity NPD6116 Phase 1
0.6327 Remote Similarity NPD5207 Approved
0.6322 Remote Similarity NPD5777 Approved
0.6311 Remote Similarity NPD4700 Approved
0.6311 Remote Similarity NPD4696 Approved
0.6311 Remote Similarity NPD5285 Approved
0.6311 Remote Similarity NPD5286 Approved
0.6304 Remote Similarity NPD4695 Discontinued
0.63 Remote Similarity NPD5707 Approved
0.6283 Remote Similarity NPD6335 Approved
0.6277 Remote Similarity NPD6695 Phase 3
0.6265 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6115 Approved
0.6264 Remote Similarity NPD6114 Approved
0.6264 Remote Similarity NPD6118 Approved
0.6264 Remote Similarity NPD6697 Approved
0.6263 Remote Similarity NPD7637 Suspended
0.6262 Remote Similarity NPD6412 Phase 2
0.6262 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6261 Remote Similarity NPD7503 Approved
0.625 Remote Similarity NPD3574 Clinical (unspecified phase)
0.625 Remote Similarity NPD6274 Approved
0.625 Remote Similarity NPD5223 Approved
0.6228 Remote Similarity NPD7101 Approved
0.6228 Remote Similarity NPD7100 Approved
0.6224 Remote Similarity NPD4753 Phase 2
0.6222 Remote Similarity NPD6933 Approved
0.6218 Remote Similarity NPD7736 Approved
0.6216 Remote Similarity NPD7094 Approved
0.6216 Remote Similarity NPD4632 Approved
0.6216 Remote Similarity NPD8133 Approved
0.6216 Remote Similarity NPD6858 Approved
0.6214 Remote Similarity NPD5290 Discontinued
0.6211 Remote Similarity NPD7338 Clinical (unspecified phase)
0.62 Remote Similarity NPD5778 Approved
0.62 Remote Similarity NPD5779 Approved
0.6195 Remote Similarity NPD6317 Approved
0.619 Remote Similarity NPD5211 Phase 2
0.619 Remote Similarity NPD5225 Approved
0.619 Remote Similarity NPD5224 Approved
0.619 Remote Similarity NPD4633 Approved
0.619 Remote Similarity NPD5226 Approved
0.6186 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6186 Remote Similarity NPD7750 Discontinued
0.618 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6176 Remote Similarity NPD5349 Clinical (unspecified phase)
0.617 Remote Similarity NPD4223 Phase 3
0.617 Remote Similarity NPD4221 Approved
0.6147 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6146 Remote Similarity NPD5329 Approved
0.614 Remote Similarity NPD6313 Approved
0.614 Remote Similarity NPD6314 Approved
0.6136 Remote Similarity NPD7151 Approved
0.6136 Remote Similarity NPD7152 Approved
0.6136 Remote Similarity NPD7150 Approved
0.6132 Remote Similarity NPD5174 Approved
0.6132 Remote Similarity NPD6052 Approved
0.6132 Remote Similarity NPD5175 Approved
0.6132 Remote Similarity NPD4754 Approved
0.6129 Remote Similarity NPD7509 Discontinued
0.6129 Remote Similarity NPD4748 Discontinued
0.6121 Remote Similarity NPD6909 Approved
0.6121 Remote Similarity NPD6908 Approved
0.6111 Remote Similarity NPD4190 Phase 3
0.6111 Remote Similarity NPD5275 Approved
0.61 Remote Similarity NPD5281 Approved
0.61 Remote Similarity NPD5284 Approved
0.6092 Remote Similarity NPD6923 Approved
0.6092 Remote Similarity NPD4137 Phase 3
0.6092 Remote Similarity NPD6922 Approved
0.6091 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6082 Remote Similarity NPD5279 Phase 3
0.6078 Remote Similarity NPD5654 Approved
0.6075 Remote Similarity NPD5141 Approved
0.6064 Remote Similarity NPD8028 Phase 2
0.6055 Remote Similarity NPD6686 Approved
0.6053 Remote Similarity NPD6009 Approved

Structure

External Identifiers

PubChem CID   21633449
ChEMBL   CHEMBL501812
ZINC  

Physicochemical Properties

Molecular Weight:  526.40
ALogP:  2.6791
MLogP:  4.76
XLogP:  10.839
# Rotatable Bonds:  14
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  38

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs